SCHEMBL10396019

SCHEMBL10396019

O=[N+]([O-])c1ccc(Sc2nccn2-c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
MAPT P10636 7/20 0.49
ALDH1A1 P00352 7/20 0.49
GAA P10253 2/20 0.49
PKM P14618 1/20 0.49
MAPK1 P28482 1/20 0.49
GFER P55789 1/20 0.45
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 1/20 0.41
NR4A1 P22736 1/20 0.40
NR4A2 P43354 1/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HPGD P15428 1/20 0.39
PTGIR P43119 1/20 0.39
POLB P06746 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10395341 0.93 MEN1 (0.64) MEN1KMT2AMAPTALDH1A1GAA
Hydrochloric Acid SCHEMBL10394648 0.92 MEN1 (0.62) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL5654395 0.81 ALDH1A1 (0.59) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL59653 0.81 MEN1 (0.59) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL2048930 0.75 ALDH1A1 (0.57) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL9402020 0.75 KMT2A (0.45) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL7557950 0.75 MEN1 (0.45) MEN1KMT2AMAPTALDH1A1CYP1A2
SCHEMBL17743745 0.75 MEN1 (0.45) MEN1KMT2AMAPTALDH1A1CYP1A2
SCHEMBL5390679 0.75 MAPT (0.47) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL4324562 0.73 MAPK9 (0.52) MEN1KMT2AMAPTPKMSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4973599-A ANTIINFLAMMATORY AGENTS HOFFMAN-LA ROCHE INC. (US) 1990-11-27 US disclosed